The project is focussed to the development of supramolecular systems based on organically modified clays, to the determination of their structure and to the understanding the structure-properties relationship, which is crucial in design of new materials.The molecular mechanics and molecular dynamics simulations in Cerius2 modeling environment combined with the experiments (XRD. NMR. IRS. AFM. etc.) will provide us with a very powerful tool in the structure determination and property prediction. This efficient method using computer modeling will enable us to investigate relatively large scale of the organically modified clays for three different practical applications: in sorption and catalysis, in development of new photofunctional materials and in development of polymer-clay nanocomposites. The results of structure determination and property predictions will lead to the recommendation for the technology of material preparation.